1-ethoxy-4-methylidenehexan-2-amine

C9H19NO — CID 66039964

IUPAC1-ethoxy-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)COCC
InChIInChI=1S/C9H19NO/c1-4-8(3)6-9(10)7-11-5-2/h9H,3-7,10H2,1-2H3
InChIKeyFVRNDUKLQZVQMG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds6

About 1-ethoxy-4-methylidenehexan-2-amine

1-ethoxy-4-methylidenehexan-2-amine (PubChem CID 66039964) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-ethoxy-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name1-ethoxy-4-methylidenehexan-2-amine
PubChem CID66039964
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-ethoxy-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)COCC
InChIInChI=1S/C9H19NO/c1-4-8(3)6-9(10)7-11-5-2/h9H,3-7,10H2,1-2H3
InChIKeyFVRNDUKLQZVQMG-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methylidenehexan-2-amine?
The IUPAC name of 1-ethoxy-4-methylidenehexan-2-amine (CID 66039964) is 1-ethoxy-4-methylidenehexan-2-amine.
What is the SMILES notation for 1-ethoxy-4-methylidenehexan-2-amine?
The canonical SMILES for 1-ethoxy-4-methylidenehexan-2-amine is C=C(CC)CC(N)COCC.
What is the InChIKey of 1-ethoxy-4-methylidenehexan-2-amine?
The InChIKey is FVRNDUKLQZVQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-8(3)6-9(10)7-11-5-2/h9H,3-7,10H2,1-2H3.
What are the key properties of 1-ethoxy-4-methylidenehexan-2-amine?
1-ethoxy-4-methylidenehexan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methylidenehexan-2-amine is sourced from PubChem (CID 66039964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).